N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C17H16N2O3 — CID 138021986

IUPACN-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(Nc1cccnc1C1CC1)c1cccc2c1OCCO2
InChIInChI=1S/C17H16N2O3/c20-17(12-3-1-5-14-16(12)22-10-9-21-14)19-13-4-2-8-18-15(13)11-6-7-11/h1-5,8,11H,6-7,9-10H2,(H,19,20)
InChIKeySTVYLEUNMSOYBO-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.98
Rot. Bonds3

About N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 138021986) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID138021986
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(Nc1cccnc1C1CC1)c1cccc2c1OCCO2
InChIInChI=1S/C17H16N2O3/c20-17(12-3-1-5-14-16(12)22-10-9-21-14)19-13-4-2-8-18-15(13)11-6-7-11/h1-5,8,11H,6-7,9-10H2,(H,19,20)
InChIKeySTVYLEUNMSOYBO-UHFFFAOYSA-N
XLogP2.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 47455792
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 103893036
5-cyclopropyl-N-(2-cyclopropyl-3-pyridinyl)-1,2-oxazole-3-carboxamide
CID 154778935
N-[3-(3-cyanopropoxy)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 56786564
N-(2-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 110699600
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614630
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 155977100
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 166374781
N-(3,5-difluoro-4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 60610928
N-(methylideneamino)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 163477302
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122300077
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-pyrimidin-2-ylbutane-1,4-dione
CID 90363742

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 138021986) is N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is O=C(Nc1cccnc1C1CC1)c1cccc2c1OCCO2.
What is the InChIKey of N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is STVYLEUNMSOYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-17(12-3-1-5-14-16(12)22-10-9-21-14)19-13-4-2-8-18-15(13)11-6-7-11/h1-5,8,11H,6-7,9-10H2,(H,19,20).
What are the key properties of N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 138021986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).